N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C19H27N3O2S — CID 16868631

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-13(2)16-11-18(24)22-15(12-25-19(22)21-16)10-17(23)20-9-8-14-6-4-3-5-7-14/h6,11,13,15H,3-5,7-10,12H2,1-2H3,(H,20,23)
InChIKeySZCHCPWGFZIJOH-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868631) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868631
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-13(2)16-11-18(24)22-15(12-25-19(22)21-16)10-17(23)20-9-8-14-6-4-3-5-7-14/h6,11,13,15H,3-5,7-10,12H2,1-2H3,(H,20,23)
InChIKeySZCHCPWGFZIJOH-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868631) is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is SZCHCPWGFZIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-13(2)16-11-18(24)22-15(12-25-19(22)21-16)10-17(23)20-9-8-14-6-4-3-5-7-14/h6,11,13,15H,3-5,7-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 361.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).